General Information of the Compound
| Compound ID |
CP0391824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-2-[4-(3-tert-butylsulfonylpropyl)piperazin-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H41N3O3S
|
||||||||||||||||||
| Molecular Weight |
439.666
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)S(=O)(=O)CCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H41N3O3S/c1-22(2,3)30(28,29)10-4-5-25-6-8-26(9-7-25)17-21(27)24-23-14-18-11-19(15-23)13-20(12-18)16-23/h18-20H,4-17H2,1-3H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCYAZFIYFUZTPF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound